ChemicalBook--->CAS DataBase List--->55837-27-9

55837-27-9

55837-27-9 Structure

55837-27-9 Structure
IdentificationMore
[Name]

Piretanide
[CAS]

55837-27-9
[Synonyms]

4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid
PIRETANIDE
4-Phenoxy-3-(pyrrolidinyl)-5-sulfamoylbenzoic acid
ARELIX
4-Phenoxy-3-(1-pyrrolidinyl)-5-sulfamoylbenzoic acid
HOE 118
hoe-118
S 734118
S-73-4118
[EINECS(EC#)]

259-852-9
[Molecular Formula]

C17H18N2O5S
[MDL Number]

MFCD00867334
[Molecular Weight]

362.4
[MOL File]

55837-27-9.mol
Chemical PropertiesBack Directory
[Melting point ]

225-227°
[Boiling point ]

253°C (rough estimate)
[density ]

1.3049 (rough estimate)
[refractive index ]

1.6510 (estimate)
[storage temp. ]

2-8°C
[solubility ]

Very slightly soluble in water, sparingly soluble in anhydrous ethanol. It shows polymorphism (5.9).
[form ]

neat
[pka]

10.22±0.60(Predicted)
[color ]

Pale-yellow platelets from MeOH (aq)
[Major Application]

pharmaceutical (small molecule)
[InChI]

1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23)
[InChIKey]

UJEWTUDSLQGTOA-UHFFFAOYSA-N
[SMILES]

[S](=O)(=O)(N)c1c(c(cc(c1)C(=O)O)N3CCCC3)Oc2ccccc2
[CAS DataBase Reference]

55837-27-9(CAS DataBase Reference)
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Toxicity]

LD50 in rats, mice (mg/kg): 5601, 3672 orally (Merkel)
Hazard InformationBack Directory
[Chemical Properties]

Pale Yellow Solid
[Originator]

Arelix ,Hoechst, Italy ,1980
[Uses]

High-ceiling loop diuretic; structurally related to Bumetanide (B689550). Diuretic.
[Definition]

ChEBI: Piretanide is an aromatic ether.
[Brand name]

Arlix (Hoechst-Roussel).
[Therapeutic Function]

Diuretic
[Safety Profile]

Poison by intravenous route. Moderately toxic by ingestion, intraperitoneal, and subcutaneous routes. An experimental teratogen. Experimental reproductive effects. Used as a diuretic agent. When heated to decomposition it emits very toxic fumes of SOx an
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